5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole

C19H15N3O3 — CID 10520620

IUPAC5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESO=[N+]([O-])c1cccc(-c2ccc(C3CC(c4ccccc4)=NN3)o2)c1
InChIInChI=1S/C19H15N3O3/c23-22(24)15-8-4-7-14(11-15)18-9-10-19(25-18)17-12-16(20-21-17)13-5-2-1-3-6-13/h1-11,17,21H,12H2
InChIKeyMBOWEFHZPUTHAJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.29
Rot. Bonds4

About 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole

5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 10520620) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID10520620
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESO=[N+]([O-])c1cccc(-c2ccc(C3CC(c4ccccc4)=NN3)o2)c1
InChIInChI=1S/C19H15N3O3/c23-22(24)15-8-4-7-14(11-15)18-9-10-19(25-18)17-12-16(20-21-17)13-5-2-1-3-6-13/h1-11,17,21H,12H2
InChIKeyMBOWEFHZPUTHAJ-UHFFFAOYSA-N
XLogP4.29
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860
2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
CID 10915547
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
(2R)-3-hydroxy-2-[5-(3-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997738
2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4032556
2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
CID 793009
(5S)-5-(4-fluorophenyl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 877364
2-chloro-5-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]pyridine
CID 15238984
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-[(2S)-5-(3-nitrophenyl)-2-[5-(3-nitrophenyl)furan-2-yl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063785
diethyl 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 1345915
methyl (4R)-6-methyl-4-[5-(3-nitrophenyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1105691

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole (CID 10520620) is 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole is O=[N+]([O-])c1cccc(-c2ccc(C3CC(c4ccccc4)=NN3)o2)c1.
What is the InChIKey of 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is MBOWEFHZPUTHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-22(24)15-8-4-7-14(11-15)18-9-10-19(25-18)17-12-16(20-21-17)13-5-2-1-3-6-13/h1-11,17,21H,12H2.
What are the key properties of 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole?
5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 333.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 10520620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).